1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-0569 |
| Compound Name: | 1-[5-(3-bromophenyl)-2-[4-(2,4-dinitrophenoxy)-3-methoxyphenyl]-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 557.31 |
| Molecular Formula: | C23 H17 Br N4 O8 |
| Smiles: | CC(N1C(c2ccc(c(c2)OC)Oc2ccc(cc2[N+]([O-])=O)[N+]([O-])=O)OC(c2cccc(c2)[Br])=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.242 |
| logD: | 5.242 |
| logSw: | -5.2771 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 116.265 |
| InChI Key: | RJCACKXHTQNEOX-HSZRJFAPSA-N |